6-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
6-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | P040-1040 |
| Compound Name: | 6-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C21 H21 N5 O5 |
| Smiles: | CC1CCCN(C1)C(CN1C(C=CC(c2nc(c3ccc4c(c3)OCO4)no2)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6677 |
| logD: | 2.6677 |
| logSw: | -2.9899 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.666 |
| InChI Key: | DIJNHKIVLPNYPS-ZDUSSCGKSA-N |